4X8C

Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147

4X8C の概要

• エントリーDOI: 10.2210/pdb4x8c/pdb
• 関連するPDBエントリー: 4X8G
• 分子名称: Protein-arginine deiminase type-4, CALCIUM ION, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone, ... (4 entities in total)
• 機能のキーワード: hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q9UM07
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 75472.55

構造登録者

Lewis, H.D.,Bax, B.D.,Chung, C.-W.,Polyakova, O.,Thorpe, J. (登録日: 2014-12-10, 公開日: 2015-01-28, 最終更新日: 2023-09-27)

主引用文献

Lewis, H.D.,Liddle, J.,Coote, J.E.,Atkinson, S.J.,Barker, M.D.,Bax, B.D.,Bicker, K.L.,Bingham, R.P.,Campbell, M.,Chen, Y.H.,Chung, C.W.,Craggs, P.D.,Davis, R.P.,Eberhard, D.,Joberty, G.,Lind, K.E.,Locke, K.,Maller, C.,Martinod, K.,Patten, C.,Polyakova, O.,Rise, C.E.,Rudiger, M.,Sheppard, R.J.,Slade, D.J.,Thomas, P.,Thorpe, J.,Yao, G.,Drewes, G.,Wagner, D.D.,Thompson, P.R.,Prinjha, R.K.,Wilson, D.M.
Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11:189-191, 2015

PubMed Abstract: PAD4 has been strongly implicated in the pathogenesis of autoimmune, cardiovascular and oncological diseases through clinical genetics and gene disruption in mice. New selective PAD4 inhibitors binding a calcium-deficient form of the PAD4 enzyme have validated the critical enzymatic role of human and mouse PAD4 in both histone citrullination and neutrophil extracellular trap formation for, to our knowledge, the first time. The therapeutic potential of PAD4 inhibitors can now be explored.

PubMed: 25622091
DOI: 10.1038/nchembio.1735

実験手法

X-RAY DIFFRACTION (3.1 Å)